LMPK12111413
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    6.2080    6.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2080    6.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8893    5.6455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5706    6.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5706    6.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8893    7.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2519    5.6455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9332    6.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9332    6.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2519    7.2189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2519    5.0321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6142    7.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3086    6.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0029    7.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0029    8.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3086    8.4214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6142    8.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8893    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.2030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6971    6.8179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8893    8.0056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9499    8.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6842    8.4139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7448    7.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3086    9.2081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3692    9.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 14 20  1  0  0  0  0
  6 21  1  0  0  0  0
 15 23  1  0  0  0  0
 16 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111413

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,7,3'-Trihydroxy-8,4',5'-trimethoxyflavone

> <FORMULA>
C18H16O8

> <MASS>
360.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XGIUYVCQIWQCCU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O8/c1-23-14-5-8(4-11(21)16(14)24-2)13-7-10(20)15-9(19)6-12(22)17(25-3)18(15)26-13/h4-7,19,21-22H,1-3H3

> <SMILES>
C1(O)=C(OC)C2OC(C3C=C(OC)C(OC)=C(O)C=3)=CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258623

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$